Show/Hide Menu
Hide/Show Apps
Logout
Türkçe
Türkçe
Search
Search
Login
Login
OpenMETU
OpenMETU
About
About
Open Science Policy
Open Science Policy
Open Access Guideline
Open Access Guideline
Postgraduate Thesis Guideline
Postgraduate Thesis Guideline
Communities & Collections
Communities & Collections
Help
Help
Frequently Asked Questions
Frequently Asked Questions
Guides
Guides
Thesis submission
Thesis submission
MS without thesis term project submission
MS without thesis term project submission
Publication submission with DOI
Publication submission with DOI
Publication submission
Publication submission
Supporting Information
Supporting Information
General Information
General Information
Copyright, Embargo and License
Copyright, Embargo and License
Contact us
Contact us
Structural properties of defected graphene nanoribbons under tension: molecular-dynamics simulations
Download
index.pdf
Date
2012
Author
Tüzün, Burcu
Metadata
Show full item record
Item Usage Stats
148
views
166
downloads
Cite This
Structural properties of pristine and defected graphene nanoribbons have been investigated by stretching them under 5 percent and 10 percent uniaxial strain until fragmentation. The stretching process has been carried out by performing molecular dynamics simulations (MDS) at 1 K and 300 K to determine the temperature effect on the structure of the graphene nanoribbons. Results of the simulations indicated that temperature, edge shape of graphene nanoribbons and stretching speed have a considerable effect on structural properties, however they have a slight effect on the strain value. The maximum strain at which fracture occurs is found to be 46.41 percent whereas minimum strain value is calculated as 21.00 percent. On the other hand, the defect formation energy is strongly affected from temperature and edge shape of graphene nanoribbons. Stone-Wales formation energy is calculated as -1.60 eV at 1 K whereas -30.13 eV at 300 K for armchair graphene nanoribbon.
Subject Keywords
Nanostructured materials.
,
Nanotechnology.
URI
http://etd.lib.metu.edu.tr/upload/12614085/index.pdf
https://hdl.handle.net/11511/21287
Collections
Graduate School of Natural and Applied Sciences, Thesis
Suggestions
OpenMETU
Core
Molecular Dynamic Simulations of Pristine and Defective Graphene Nanoribbons Under Strain
Tuzun, Burcu; Erkoç, Şakir (American Scientific Publishers, 2013-02-01)
Structural properties of pristine and defective graphene nanoribbons have been investigated by stretching them under 5 percent and 10 percent uniaxial strain until the nanoribbons fracture. The stretching process have been carried out by performing molecular dynamics simulations at 1 K and 300 K to determine the temperature effect on the structure of the graphene nanoribbons. Results of the simulations indicated that the conformation of the initial graphene nanoribbon model, temperature, and stretching spee...
Fabrication and investigation of extremely thin CdTe absorber layer solar cells
Hosseini, Arezoo; Erçelebi, Ayşe Çiğdem; Turan, Raşit; Department of Physics (2016)
Extremely thin absorber layer (ETA) solar cells aim to combine the advantages of using very thin and cheaply produced absorber layer on nano structured substrates with stability of all-solid-state solar cells. This type of photovoltaic devices use a nano structured interpenetrating heterojunction of thin light-absorbing layer at the interface between an n- and p-type semiconductors. N-type nano structured TiO2 layer is deposited on a Transparent Conducting Oxide coated glass (TCO) substrate, following with ...
Structural Vibration Analysis of Single Walled Carbon Nanotubes with Atom Vacancies
Dogan, Ibrahim Onur; Yazıcıoğlu, Yiğit (2014-11-01)
Recent investigations in nanotechnology show that carbon nanotubes have significant mechanical, electrical and optical properties. Interactions between those are also promising in both research and industrial fields. Those unique characteristics are mainly due to the atomistic structure of carbon nanotubes. In this paper, the structural effects of vacant atoms on single walled carbon nanotubes are investigated using matrix stiffness method. In order to use this technique, a linkage between structural mechan...
Structural Properties of Pristine and Defected ZnO Nanosheets Under Biaxial Strain: Molecular Dynamics Simulations
Kilic, Mehmet Emin; Erkoç, Şakir (2016-02-01)
Structural properties of defected zinc oxide nanosheets have been investigated by performing classical molecular dynamics simulations. An atomistic potential energy function has been used to represent the interactions among the atoms. Different types of defects (vacancy, exchange, Stone Wales like, line defect and ring-like) at the central region have been considered for the nanosheets. Strain has been applied to the generated ZnO nanostructures along both x- and y-axes, which has been realized at two diffe...
Synthesis of gold nanowires with high aspect ratio and morphological purity
Dertli, Elçin; Nalbant Esentürk, Emren; Ünalan, Hüsnü Emrah; Department of Micro and Nanotechnology (2012)
Metal nanoparticles have unique optical, electrical, catalytic and mechanical properties, which lead them to various applications in nanotechnology. In particular, noble metal nanowires are attracting growing attention due to their potential applications such as in opto-electronic devices and transparent conductive contacts (TCCs). There are two general approaches to synthesize nanowires: template-assisted and solution phase methods. However, these synthesis approaches have various disadvantages. For exampl...
Citation Formats
IEEE
ACM
APA
CHICAGO
MLA
BibTeX
B. Tüzün, “Structural properties of defected graphene nanoribbons under tension: molecular-dynamics simulations ,” M.S. - Master of Science, Middle East Technical University, 2012.
